1-(2-methoxyethyl)-1H-indol-6-amine hydrochloride

• ChemBase ID: 246279
• Molecular Formular: C11H15ClN2O
• Molecular Mass: 226.7026
• Monoisotopic Mass: 226.08729079
• SMILES: n1(c2c(cc1)ccc(c2)N)CCOC.Cl
• Canonical SMILES: COCCn1ccc2c1cc(N)cc2.Cl
• InChI: InChI=1S/C11H14N2O.ClH/c1-14-7-6-13-5-4-9-2-3-10(12)8-11(9)13;/h2-5,8H,6-7,12H2,1H3;1H
• InChIKey: VRLVWUVPQKRPRK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methoxyethyl)-1H-indol-6-amine hydrochloride
• IUPAC Traditional name: 1-(2-methoxyethyl)indol-6-amine hydrochloride
• Synonyms: 1-(2-methoxyethyl)-1H-indol-6-amine hydrochloride

Database IDs

• MDL Number: MFCD23144268
• PubChem SID: 164302189
• PubChem CID: 71757935

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4117225
• LogD (pH = 7.4): 1.41968
• Log P: 1.4197824
• Molar Refractivity: 57.7851 cm^3
• Polarizability: 22.831173 Å^3
• Polar Surface Area: 40.18 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.523

Product Information

• Purity: 95%